1-[3-nitro-4-(3-oxidanylpropoxy)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(3-oxidanylpropoxy)phenyl]ethanone Openeye Name: 1-[4-(3-hydroxypropoxy)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3-hydroxypropoxy)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3-hydroxypropoxy)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(3-hydroxypropoxy)-3-nitro-phenyl]ethanone Formula: C11H13NO5 MolecularWeight: 239.22462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCO)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-8(14)9-3-4-11(17-6-2-5-13)10(7-9)12(15)16/h3-4,7,13H,2,5-6H2,1H3